CID 343757

5-amino-4-nitroacenaphthene

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1CC2=CC(=C(C3=CC=CC1=C23)N)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O2/c13-12-9-3-1-2-7-4-5-8(11(7)9)6-10(12)14(15)16/h1-3,6H,4-5,13H2
InChIKey
VWJYDQVCIUABSV-UHFFFAOYSA-N
Compound name
4-nitro-1,2-dihydroacenaphthylen-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

214.07423 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.081506 142.1
[M+Na]+ 237.063448 149.9
[M-H]- 213.066954 146.9
[M+NH4]+ 232.108053 163.6
[M+K]+ 253.037388 142.2
[M+H-H2O]+ 197.071490 141.0
[M+HCOO]- 259.072431 166.1
[M+CH3COO]- 273.088081 185.8
[M+Na-2H]- 235.048896 150.5
[M]+ 214.07368142 140.2
[M]- 214.07477858 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.